N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide

C22H22N2O2S — CID 55958337

IUPACN-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)sc2ccccc12
InChIInChI=1S/C22H22N2O2S/c1-14-18-8-4-5-9-19(18)27-20(14)22(26)24-17-12-10-15(11-13-17)21(25)23-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,23,25)(H,24,26)
InChIKeyHCYSVJPQIFEFRD-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.13
Rot. Bonds4

About N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 55958337) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID55958337
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)sc2ccccc12
InChIInChI=1S/C22H22N2O2S/c1-14-18-8-4-5-9-19(18)27-20(14)22(26)24-17-12-10-15(11-13-17)21(25)23-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,23,25)(H,24,26)
InChIKeyHCYSVJPQIFEFRD-UHFFFAOYSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
4-benzamido-N-cyclopentylbenzamide
CID 1262350
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 56556195
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 155400941
N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110497075
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666350
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1-benzothiophene-2-carboxamide
CID 9438065
3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1015028

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 55958337) is N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)sc2ccccc12.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is HCYSVJPQIFEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-14-18-8-4-5-9-19(18)27-20(14)22(26)24-17-12-10-15(11-13-17)21(25)23-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55958337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).